Molecule ID: mol20738
SMILES: CC[N+](C)(CC)CCS/C(=N\O)C(=O)c1ccc(C#N)cc1
InChI: InChI=1S/C16H21N3O2S/c1-4-19(3,5-2)10-11-22-16(18-21)15(20)14-8-6-13(12-17)7-9-14/h6-9H,4-5,10-11H2,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.72 | OCHEM | 1 » 0 |
| 6.72 | Baltruschat ChEMBL | 1 » 0 |